ChemSpider 2D Image | 2-[(1-Cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide | C18H22F3N5O2S

2-[(1-Cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide

  • Molecular FormulaC18H22F3N5O2S
  • Average mass429.460 Da
  • Monoisotopic mass429.144623 Da
  • ChemSpider ID22393064

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[(1-Cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(4-methoxyphenyl)-N-(2,2,2-trifluorethyl)acetamid [German] [ACD/IUPAC Name]
2-[(1-Cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide [ACD/IUPAC Name]
2-[(1-Cyclohexyl-1H-tétrazol-5-yl)sulfanyl]-N-(4-méthoxyphényl)-N-(2,2,2-trifluoroéthyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(1-cyclohexyl-1H-tetrazol-5-yl)thio]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 550.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 286.8±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 104.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.99
ACD/KOC (pH 5.5): 892.52
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.99
ACD/KOC (pH 7.4): 892.54
Polar Surface Area: 98 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 303.9±7.0 cm3

Click to predict properties on the Chemicalize site


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